Amibegron hydrochlorideProduct ingredient for Amibegron
- Name
- Amibegron hydrochloride
- Drug Entry
- Amibegron
Amibegron is an agonist for atypical beta3-adrenoceptors which inhibits intestinal motility.
- Accession Number
- DBSALT002941
- Structure
Structure for Amibegron hydrochloride (DBSALT002941)
- Synonyms
- Amibegron HCl / Amibegron hydrochloride
- External IDs
- SR-58611A / SR58611A
- UNII
- N910CJ679E
- CAS Number
- 121524-09-2
- Weight
- Average: 440.36
Monoisotopic: 439.1317138 - Chemical Formula
- C22H27Cl2NO4
- InChI Key
- NQIZCDQCNYCVAS-RQBPZYBGSA-N
- InChI
- InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1
- IUPAC Name
- ethyl 2-{[(7S)-7-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}acetate hydrochloride
- SMILES
- Cl.[H][C@](O)(CN[C@@]1([H])CCC2=C(C1)C=C(OCC(=O)OCC)C=C2)C1=CC(Cl)=CC=C1
- External Links
- ChemSpider
- 108738
- BindingDB
- 50212977
- ChEMBL
- CHEMBL545437
- Predicted Properties
Property Value Source Water Solubility 0.00179 mg/mL ALOGPS logP 3.91 ALOGPS logP 3.89 Chemaxon logS -5.4 ALOGPS pKa (Strongest Acidic) 14.03 Chemaxon pKa (Strongest Basic) 9.7 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 67.79 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 109.09 m3·mol-1 Chemaxon Polarizability 43.17 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon